CAS RN: 81957-76-8
MIANSERIN-D3
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260112 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS81957-76-8
- Purity/Analytical Methods: >99.0%
81957-76-8 / 5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
Basic Information
CAS
81957-76-8
Multi CAS
Yes
Molecular Formula
C18H20N2
Molecular Weight
264.400000
Exact Mass
264.162649
InChI
InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/i1D3
InChIKey
UEQUQVLFIPOEMF-FIBGUPNXSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
83.27
TPSA
6.48
LogP / Solubility
WLOGP
3.08
MLOGP
2.72
XLogP3
3.4
Consensus LogP
3.07
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
4(15),5,10(14)-Germacratrien-1-ol
- CAS RN: 81968-62-9
- Product Code: starshine_CAS81968-62-9
- Purity/Analytical method: >99.0%
-
-
Splendoside
- CAS RN: 81969-41-7
- Product Code: starshine_CAS81969-41-7
- Purity/Analytical method: >99.0%
-
-
-
